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Molecular Dynamics simulations of track formation at different ensembles

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dc.contributor.authorMoreira, Pedro A.F.P.
dc.contributor.authorGuedes, Sandro
dc.contributor.authorTello Saenz, Carlos [UNESP]
dc.contributor.authorHadler, Julio C.
dc.contributor.institutionUniversidade Estadual de Campinas (UNICAMP)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-27T11:27:29Z
dc.date.available2014-05-27T11:27:29Z
dc.date.issued2013-01-01
dc.description.abstractA series of Molecular Dynamics simulations of thermal spikes has been run in zircon. For two different ensembles: microcanonical one and a combination of microcanonical one acting on the simulation core with Langevin one on the side walls of simulation. Depending on the used ensemble, different track-formation threshold energies were found. When the combined ensemble is carried out, the total energy of the simulations varies with the temperature which can influence how annealing fission-track models should deal with the lattice recovery. A fission-track annealing model is tested with the simulation results. © 2012 Elsevier Ltd. All rights reserved.en
dc.description.affiliationInstituto de Física gleb Wataghin Universidade Estadual de Campinas, 13083-970 Campinas, SP
dc.description.affiliationDepartamento de Física Química e Biologia Universidade Estadual Paulista, UNESP, 19060-900 Presidente Prudente, SP
dc.description.affiliationUnespDepartamento de Física Química e Biologia Universidade Estadual Paulista, UNESP, 19060-900 Presidente Prudente, SP
dc.format.extent68-72
dc.identifierhttp://dx.doi.org/10.1016/j.radmeas.2012.10.011
dc.identifier.citationRadiation Measurements, v. 48, n. 1, p. 68-72, 2013.
dc.identifier.doi10.1016/j.radmeas.2012.10.011
dc.identifier.issn1350-4487
dc.identifier.lattes5982597921345094
dc.identifier.scopus2-s2.0-84872498868
dc.identifier.urihttp://hdl.handle.net/11449/74193
dc.identifier.wosWOS:000315473200011
dc.language.isoeng
dc.relation.ispartofRadiation Measurements
dc.relation.ispartofjcr1.369
dc.relation.ispartofsjr0,509
dc.rights.accessRightsAcesso restrito
dc.sourceScopus
dc.subjectAnnealing
dc.subjectFission track
dc.subjectMolecular Dynamics
dc.subjectThermal spike
dc.subjectZircon
dc.subjectLangevin
dc.subjectLattice recovery
dc.subjectMolecular dynamics simulations
dc.subjectSide walls
dc.subjectThermal spikes
dc.subjectThreshold energy
dc.subjectTotal energy
dc.subjectTrack formation
dc.subjectComputer simulation
dc.subjectFission reactions
dc.subjectMolecular dynamics
dc.titleMolecular Dynamics simulations of track formation at different ensemblesen
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dspace.entity.typePublication
unesp.author.lattes5982597921345094[3]
unesp.author.orcid0000-0002-0369-8999[3]
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Ciências e Tecnologia, Presidente Prudentept
unesp.departmentFísica, Química e Biologia - FCTpt

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Presidente Prudente - FCT - Faculdade de Ciências e Tecnologia